2-azanyl-4-methoxy-5-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-methoxy-5-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 2-amino-4-methoxy-5-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 2-amino-5-(1,3-dioxobutylamino)-4-methoxybenzenesulfonic acid IUPAC Name: 2-amino-4-methoxy-5-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 5-(acetoacetylamino)-2-amino-4-methoxy-besylic acid Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C=C(C(=C1)S(=O)(=O)O)N)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C=C(C(=C1)S(=O)(=O)O)N)OC

InChI

InChI=1S/C11H14N2O6S/c1-6(14)3-11(15)13-8-5-10(20(16,17)18)7(12)4-9(8)19-2/h4-5H,3,12H2,1-2H3,(H,13,15)(H,16,17,18)